2-Heptadecyl-6-methoxycyclohexa-2,5-diene-1,4-dione
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Basic information
- CAS
78472-08-9- Standard SMILES
CCCCCCCCCCCCCCCCCC1=CC(=O)C=C(OC)C1=O- InChIKey
QEXKEEHFBIWZLW-UHFFFAOYSA-N- Molecular formula
- C24H40O3
- Average molar mass
- 376.6 g/mol
- Monoisotopic mass
- 376.29774513
Names & identifiers
- Preferred name
- 2-Heptadecyl-6-methoxycyclohexa-2,5-diene-1,4-dione
- IUPAC
- 2-heptadecyl-6-methoxycyclohexa-2,5-diene-1,4-dione
- English name
- PALLASONE B
- Molecular formula
- C24H40O3
- Molecular weight
- 376.5726
Names & synonyms
2-HEPTADECYL-6-METHOXYCYCLOHEXA-2,5-DIENE-1,4-DIONE78472-08-9SCHEMBL31040564
Database identifiers
- CAS
78472-08-9- PubChem CID
- 11689358
- Nikkaji
- J2.185.398D
Properties
Computed structural propertiesFilling in
- XLogP
- 9.1
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 17
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 488
Related reactions
0 records
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Compound notes
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